Symmetry-projected spin-AGP methods applied to spin systems

Z Zhiyuan Liu T Thomas M. Henderson (Department of Chemistry, Rice University 1 , Houston, Texas 77005-1892,) G Gustavo E. Scuseria (Department of Chemistry, Rice University 1 , Houston, Texas 77005-1892,)

Abstract

Symmetry-projected wave function methods capture static correlation by breaking and restoring the symmetries of a system. In this article, we present the symmetry-projected spin antisymmetrized geminal power (spin-AGP) state projected onto space group symmetry as well as complex conjugation, spin-flip, and time-reversal symmetries. The method is benchmarked on the 1D XXZ model and the 2D J1 − J2 model with square and triangular lattices. Our results indicate that symmetry projection methods provide a powerful tool for frustrated spin systems.

Article Details

Volume / Issue Vol. 163, Issue 2
Published July 14, 2025
ISSN 0021-9606
Publisher American Institute of Physics

Journal Info

The Journal of Chemical Physics

American Institute of Physics

ISSN: 0021-9606 Physical Sciences

Authors (3)

Z

Zhiyuan Liu

T

Thomas M. Henderson

Department of Chemistry, Rice University 1 , Houston, Texas 77005-1892,

G

Gustavo E. Scuseria

Department of Chemistry, Rice University 1 , Houston, Texas 77005-1892,